N-[cyclopenta-2,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine

C9H17BN2 — CID 15247421

IUPACN-[cyclopenta-2,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine
SMILESCN(C)B(C1C=CC=C1)N(C)C
InChIInChI=1S/C9H17BN2/c1-11(2)10(12(3)4)9-7-5-6-8-9/h5-9H,1-4H3
InChIKeyCTKRHRLQMFQIFY-UHFFFAOYSA-N
MW164.06 g/mol
LogP1.09
Rot. Bonds3

About N-[cyclopenta-2,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine

N-[cyclopenta-2,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine (PubChem CID 15247421) has the molecular formula C9H17BN2 and a molecular weight of 164.06 g/mol. Its IUPAC name is N-[cyclopenta-2,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[cyclopenta-2,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine
PubChem CID15247421
Molecular FormulaC9H17BN2
Molecular Weight164.06 g/mol
Exact Mass164.15
IUPAC NameN-[cyclopenta-2,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine
SMILESCN(C)B(C1C=CC=C1)N(C)C
InChIInChI=1S/C9H17BN2/c1-11(2)10(12(3)4)9-7-5-6-8-9/h5-9H,1-4H3
InChIKeyCTKRHRLQMFQIFY-UHFFFAOYSA-N
XLogP1.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.06
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopenta-2,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine?
The IUPAC name of N-[cyclopenta-2,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine (CID 15247421) is N-[cyclopenta-2,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine.
What is the SMILES notation for N-[cyclopenta-2,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine?
The canonical SMILES for N-[cyclopenta-2,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine is CN(C)B(C1C=CC=C1)N(C)C.
What is the InChIKey of N-[cyclopenta-2,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine?
The InChIKey is CTKRHRLQMFQIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BN2/c1-11(2)10(12(3)4)9-7-5-6-8-9/h5-9H,1-4H3.
What are the key properties of N-[cyclopenta-2,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine?
N-[cyclopenta-2,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine has a molecular weight of 164.06 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopenta-2,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine is sourced from PubChem (CID 15247421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).